Vitas-M small molecule compound

propan-2-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK091047
SMILES COc1cccc(c1OC)C1C2=C(CC(CC2=O)c2ccccc2)NC(=C1C(=O)OC(C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-16(2)34-28(31)24-17(3)29-21-14-19(18-10-7-6-8-11-18)15-22(30)26(21)25(24)20-12-9-13-23(32-4)27(20)33-5/h6-13,16,19,25,29H,14-15H2,1-5H3
InChIKey
ZPVBCBQFHTUBQH-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C(C(=CC=C4)OC)OC)C(=O)OC(C)C
COc1cccc(c1OC)C1C2=C(CC(CC2=O)c2ccccc2)NC(=C1C(=O)OC(C)C)C
InChI=1SC28H31NO5c116(2)3428(31)2417(3)29211419(18107681118)1522(30)26(21)25(24)201291323(324)27(20)335h61316192529H1415H215H3
MFCD02375964
propan2yl4(23dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(23dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK091047
ZINC000001201935
ZINC000001201945

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Available files

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